2-(4-chlorophenyl)-4-[[(3R)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

C19H19ClN4OS — CID 52946171

IUPAC2-(4-chlorophenyl)-4-[[(3R)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@@H]2CCCNC2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C19H19ClN4OS/c20-12-5-3-11(4-6-12)16-8-14-17(26-16)15(18(21)25)10-23-19(14)24-13-2-1-7-22-9-13/h3-6,8,10,13,22H,1-2,7,9H2,(H2,21,25)(H,23,24)/t13-/m1/s1
InChIKeyQTBPGDBHORPJSA-CYBMUJFWSA-N
MW386.91 g/mol
LogP3.88
Rot. Bonds4

About 2-(4-chlorophenyl)-4-[[(3R)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

2-(4-chlorophenyl)-4-[[(3R)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52946171) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[[(3R)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[[(3R)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID52946171
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name2-(4-chlorophenyl)-4-[[(3R)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@@H]2CCCNC2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C19H19ClN4OS/c20-12-5-3-11(4-6-12)16-8-14-17(26-16)15(18(21)25)10-23-19(14)24-13-2-1-7-22-9-13/h3-6,8,10,13,22H,1-2,7,9H2,(H2,21,25)(H,23,24)/t13-/m1/s1
InChIKeyQTBPGDBHORPJSA-CYBMUJFWSA-N
XLogP3.88
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[[(3R)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-[[(3R)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 52946171) is 2-(4-chlorophenyl)-4-[[(3R)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[[(3R)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-[[(3R)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N[C@@H]2CCCNC2)c2cc(-c3ccc(Cl)cc3)sc12.
What is the InChIKey of 2-(4-chlorophenyl)-4-[[(3R)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is QTBPGDBHORPJSA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c20-12-5-3-11(4-6-12)16-8-14-17(26-16)15(18(21)25)10-23-19(14)24-13-2-1-7-22-9-13/h3-6,8,10,13,22H,1-2,7,9H2,(H2,21,25)(H,23,24)/t13-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-4-[[(3R)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
2-(4-chlorophenyl)-4-[[(3R)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[[(3R)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52946171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).